SCHEMBL13593603

SCHEMBL13593603

COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1/N=N/c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ MAPK1 P28482 4/20 0.41
▸ MAPT P10636 6/20 0.40
▸ POLB P06746 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ FTO Q9C0B1 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPGD P15428 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24594127 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL24594401 0.93 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL10079080 0.93 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL21339523 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL19041078 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2MAPK1
Nitrogen SCHEMBL26980338 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL12133348 0.85 MEN1 (0.43) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL13644724 0.85 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL12166369 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL16905357 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACYP1A2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635598-B2 Inducible fluorescence assay BIOSEARCH TECHNOLOGIES, INC. (US) 2009-12-22 — — US disclosed
US-7635598-B2 Inducible fluorescence assay BIOSEARCH TECHNOLOGIES, INC. (US) 2009-12-22 — — US disclosed
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